Information card for entry 7127480

Structure parameters

• Formula: C112 H72.53 Cd3 Cl1.47 N24 O0.53
• Calculated formula: C112 H72.53 Cd3 Cl1.47 N24 O0.53
• Title of publication: Axial Cl/Br atom-mediated CO₂ electroreduction performance in a stable porphyrin-based metal-organic framework.
• Authors of publication: Huang, Qing; Niu, Qian; Ma, Na-Na; Dong, Long-Zhang; Li, Shun-Li; Li, Dong-Sheng; Cai, Yue-Peng; Lan, Ya-Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 94
• Pages of publication: 14817 - 14820
• a: 47.491 ± 0.002 Å
• b: 18.5114 ± 0.001 Å
• c: 27.2738 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23977 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.77485 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No